8-Cyclopentyltheophylline
TL;DR: 8-Cyclopentyltheophylline (CAS 35873-49-5) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Cyclopentyl-1,3-dimethylxanthine, 8-cyclopentyltheophylline, 8-Cyclopentyl theophylline, Cyclopentyltheophylline, (s)-homo-beta-valine
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16N4O2 |
| Molecular Weight | 248.12732 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.12732 Da |
| Heavy Atoms | 18 |
| Complexity | 380.0 |
| Solubility | >37.2 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3 |
| InChIKey | SCVHFRLUNIOSGI-UHFFFAOYSA-N |
Product Description
Applications: 8-Cyclopentyltheophylline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 8-Cyclopentyltheophylline (CAS 35873-49-5) has the molecular formula C12H16N4O2 and a molecular weight of 248.13 g/mol. Reported properties include a solubility: >37.2 [ug/mL] (The mean of the results at pH 7.4). Synonyms include 8-Cyclopentyl-1,3-dimethylxanthine and 8-cyclopentyltheophylline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 8-Cyclopentyltheophylline
Property Insights of 8-Cyclopentyltheophylline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Cyclopentyltheophylline. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Cyclopentyltheophylline. Following Lipinski's Rule of Five, 8-Cyclopentyltheophylline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-Cyclopentyltheophylline?
The CAS number of 8-Cyclopentyltheophylline is 35873-49-5.
What is the molecular formula of 8-Cyclopentyltheophylline?
The molecular formula of 8-Cyclopentyltheophylline is C12H16N4O2.
What is the molecular weight of 8-Cyclopentyltheophylline?
The molecular weight of 8-Cyclopentyltheophylline is 248.12732 g/mol.
What are the applications of 8-Cyclopentyltheophylline?
8-Cyclopentyltheophylline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 8-Cyclopentyltheophylline?
You can request a quote for 8-Cyclopentyltheophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Cyclopentyltheophylline?
Yes, CoreyChem provides custom synthesis services for 8-Cyclopentyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.